Computational and FTIR Spectroscopic Studies on CO Adsorption on the Zeolites Na-ZSM-5 and K-ZSM-5: Evidence of Dual-cation Sites
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216275%3A25310%2F08%3A00007602" target="_blank" >RIV/00216275:25310/08:00007602 - isvavai.cz</a>
Result on the web
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DOI - Digital Object Identifier
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Alternative languages
Result language
angličtina
Original language name
Computational and FTIR Spectroscopic Studies on CO Adsorption on the Zeolites Na-ZSM-5 and K-ZSM-5: Evidence of Dual-cation Sites
Original language description
Carbon monoxide adsorption on the zeolites Na-ZSM-5 and K-ZSM-5 was investigated by combining variable-temperature FTIR spectroscopy with calculations performed at the periodic DFT level. On the basis of a very good agreement between experimental and calculated frequencies and adsorption enthalpies, it is shown that the IR absorption band appearing in the intermediate frequency range for adsorbed CO (2155 and 2150 cm-1 for Na-ZSM-5 and K-ZSM-5, respectively) is due to the formation of linearly bridged CO adsorption complexes on dual-cation sites.
Czech name
Výpočetní a FTIR spektroskopická studie adsorpce CO na Na-ZSM-5 a K-ZSM-5: důkaz duálních kationtových center
Czech description
Adsorpce CO na Na-ZSM-5 a K-ZSM-5 zeolitech byla studována kombinací IČ spektroskopie za různých teplot a výpočtů na periodické DFT úrovni. Na základě velmi dobré shody experimentu a teorie bylo prokázáno, že IČ pás na vlnočtech 2155 a 2150 cm-1 je způsoben vznikem lineárních můstkových komplexů adsorbovaného CO na tzv. duálních kationtových centrech.
Classification
Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
CF - Physical chemistry and theoretical chemistry
OECD FORD branch
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Result continuities
Project
Result was created during the realization of more than one project. More information in the Projects tab.
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)<br>S - Specificky vyzkum na vysokych skolach
Others
Publication year
2008
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Journal of Physical Chemistry Part C: Nanomaterials and Interfaces
ISSN
1932-7447
e-ISSN
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Volume of the periodical
112
Issue of the periodical within the volume
12
Country of publishing house
US - UNITED STATES
Number of pages
9
Pages from-to
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UT code for WoS article
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EID of the result in the Scopus database
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